CID 90172123

C14H18F3OSi — CID 90172123

IUPAC—
SMILESCCC(CC)(CCc1cccc(C(F)(F)F)c1)O[Si]
InChIInChI=1S/C14H18F3OSi/c1-3-13(4-2,18-19)9-8-11-6-5-7-12(10-11)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyYICJDSLGOPQPFF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds6

About CID 90172123

CID 90172123 (PubChem CID 90172123) has the molecular formula C14H18F3OSi and a molecular weight of 287.38 g/mol.

Molecular Properties

Compound NameCID 90172123
PubChem CID90172123
Molecular FormulaC14H18F3OSi
Molecular Weight287.38 g/mol
Exact Mass287.11
IUPAC Name—
SMILESCCC(CC)(CCc1cccc(C(F)(F)F)c1)O[Si]
InChIInChI=1S/C14H18F3OSi/c1-3-13(4-2,18-19)9-8-11-6-5-7-12(10-11)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyYICJDSLGOPQPFF-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 90174356
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CID 172602830
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CID 58227067
3-[3-(trifluoromethyl)phenyl]propan-1-ol
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tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
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1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 90172123?
The IUPAC name of CID 90172123 (CID 90172123) is not available.
What is the SMILES notation for CID 90172123?
The canonical SMILES for CID 90172123 is CCC(CC)(CCc1cccc(C(F)(F)F)c1)O[Si].
What is the InChIKey of CID 90172123?
The InChIKey is YICJDSLGOPQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3OSi/c1-3-13(4-2,18-19)9-8-11-6-5-7-12(10-11)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of CID 90172123?
CID 90172123 has a molecular weight of 287.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172123 is sourced from PubChem (CID 90172123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).